Found 81 results

Search term: MF = 'C_{18}H_{19}BrN_{4}S'
ChemSpider 2D Image | 3-(4-Bromophenyl)-5-[(mesitylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine | C18H19BrN4S

3-(4-Bromophenyl)-5-[(mesitylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC18H19BrN4S
  • Average mass403.339 Da
  • Monoisotopic mass402.051361 Da
  • ChemSpider ID62521082

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(4-Bromophenyl)-5-[(mesitylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-(4-Bromophényl)-5-[(mésitylméthyl)sulfanyl]-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
3-(4-Bromphenyl)-5-[(mesitylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-(4-bromophenyl)-5-[[(2,4,6-trimethylphenyl)methyl]thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 581.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.4±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3973.32
ACD/KOC (pH 5.5): 13117.82
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3973.51
ACD/KOC (pH 7.4): 13118.44
Polar Surface Area: 82 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement